1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea

C6H10N4O2 — CID 103743952

IUPAC1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCNC(=O)NCCc1ncno1
InChIInChI=1S/C6H10N4O2/c1-7-6(11)8-3-2-5-9-4-10-12-5/h4H,2-3H2,1H3,(H2,7,8,11)
InChIKeyISSHQCKHJQUZLK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.46
Rot. Bonds3

About 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea

1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 103743952) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID103743952
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCNC(=O)NCCc1ncno1
InChIInChI=1S/C6H10N4O2/c1-7-6(11)8-3-2-5-9-4-10-12-5/h4H,2-3H2,1H3,(H2,7,8,11)
InChIKeyISSHQCKHJQUZLK-UHFFFAOYSA-N
XLogP-0.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
2-hydroxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106404133
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 114184488
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106403707
(2S)-4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106403863
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106397303
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
6-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 106408662

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (CID 103743952) is 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is CNC(=O)NCCc1ncno1.
What is the InChIKey of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is ISSHQCKHJQUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-7-6(11)8-3-2-5-9-4-10-12-5/h4H,2-3H2,1H3,(H2,7,8,11).
What are the key properties of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 170.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 103743952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).